| SpectraBase Compound ID | KfxgXVxKjT8 |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-7-9-10-11-12-13-14-15-16-17-21-27-23(25)19-20-24(26)28-22(6-3)18-8-5-2/h19-20,22H,4-18,21H2,1-3H3/b20-19+ |
| InChIKey | KETBQDRKDBJAKC-FMQUCBEESA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdJLjnuOqdc |
|---|---|
| Name | Fumaric acid, 3-heptyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-4-7-9-10-11-12-13-14-15-16-17-21-27-23(25)19-20-24(26)28-22(6-3)18-8-5-2/h19-20,22H,4-18,21H2,1-3H3/b20-19+ |
| InChIKey | KETBQDRKDBJAKC-FMQUCBEESA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |